9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine

C58H41N — CID 168750142

IUPAC9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C58H41N/c1-57(2)53-36-42(38-15-5-3-6-16-38)28-33-55(53)59(56-34-29-43(37-54(56)57)39-17-7-4-8-18-39)44-30-25-40(26-31-44)41-27-32-52-48(35-41)47-21-11-14-24-51(47)58(52)49-22-12-9-19-45(49)46-20-10-13-23-50(46)58/h3-37H,1-2H3
InChIKeyIRFFBZUZZWBUDN-UHFFFAOYSA-N
MW751.97 g/mol
LogP15.14
Rot. Bonds4

About 9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine

9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine (PubChem CID 168750142) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is 9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine.

Molecular Properties

Compound Name9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
PubChem CID168750142
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC Name9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C58H41N/c1-57(2)53-36-42(38-15-5-3-6-16-38)28-33-55(53)59(56-34-29-43(37-54(56)57)39-17-7-4-8-18-39)44-30-25-40(26-31-44)41-27-32-52-48(35-41)47-21-11-14-24-51(47)58(52)49-22-12-9-19-45(49)46-20-10-13-23-50(46)58/h3-37H,1-2H3
InChIKeyIRFFBZUZZWBUDN-UHFFFAOYSA-N
XLogP15.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine with MolForge

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Related Compounds

3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]acridine;10-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)acridine;9,9-dimethyl-10-(4-phenylphenyl)-2,7-bis(5-phenylthiophen-2-yl)acridine
CID 158467826
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine?
The IUPAC name of 9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine (CID 168750142) is 9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine.
What is the SMILES notation for 9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine?
The canonical SMILES for 9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine is CC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine?
The InChIKey is IRFFBZUZZWBUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-57(2)53-36-42(38-15-5-3-6-16-38)28-33-55(53)59(56-34-29-43(37-54(56)57)39-17-7-4-8-18-39)44-30-25-40(26-31-44)41-27-32-52-48(35-41)47-21-11-14-24-51(47)58(52)49-22-12-9-19-45(49)46-20-10-13-23-50(46)58/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine?
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine has a molecular weight of 751.97 g/mol, XLogP of 15.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine is sourced from PubChem (CID 168750142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).